![CAS 389621-81-2 4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2105-jpgcontextbwfzdgvyfhjvb3r8mzazmdn8aw1hz2uvanblz3xozgevagiwlzg5mzixmtkzndcymzavudixmduuanbnfdk2nzgxowrmogixztzkmgy3mjvlymezm2rky2fhmmy5yzhjmzg1nmezy2i3ymvjnmuxzdeymdcwm2nmmwq3mzk.jpeg)
CAS RN: 389621-81-2
4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-146578
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
389621-81-2 / [4-(pyrrolidine-1-carbonyl)phenyl]boronic acid
Basic Information
CAS
389621-81-2
Multi CAS
No
Molecular Formula
BC11H14NO3
Molecular Weight
219.050000
Exact Mass
219.106674
InChI
InChI=1S/C11H14BNO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,1-2,7-8H2
InChIKey
VKPBESPVHGDDJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.41
TPSA
60.77
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.35
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 858131-73-4 [4′-(Carbazol-9-yl)-4-biphenylyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3353-jpgcontextbwfzdgvyfhjvb3r8mza2odz8aw1hz2uvanblz3xonjgvade2lzg5mjk2nzqynjq2mdyvqzmzntmuanbnfgm5mdq2odkyyzg0mjuxzmi1mme0ndjlnzfhzdrkzjdlodmxnjrknmrmn2vlngyzmdu3n2qxntnkzmrkndczmdq.jpeg)
